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Acta Cryst. (2009). E65, i74 [ doi:10.1107/S1600536809040008 ]
Synchrotron study of the garnet-type oxide Li6CaSm2Ta2O12
Online 7 October 2009
Key indicators
- Powder synchrotron study
- T = 298 K, P = 0.0 kPa
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(Ta-O) = 0.007 Å
- Disorder in main residue
- R factor = 0.000
- wR factor = 0.000
- Data-to-parameter ratio = 7.6
checkCIF/PLATON results
No syntax errors found
Alert level C
REFI023_ALERT_1_C _refine_diff_density_max is missing
Maximum value of final difference map (e A-3).
The following tests will not be performed
DIFMN_01,DIFMX_01,DIFMX_02
REFI024_ALERT_1_C _refine_diff_density_min is missing
Minimum value of final difference map (e A-3).
The following tests will not be performed
DIFMN_01,DIFMN_02,DIFMN_03
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
identifier.
yellowish
SHFSU01_ALERT_2_C Test not performed. _refine_ls_shift/su_max and
_refine_ls_shift/esd_max not present.
Absolute value of the parameter shift to su ratio given 0.001
PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.12 Ratio
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) ..... 7 Ang.
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... SM,CA
(SM,CA)O1
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... SM,CA
(SM,CA)O1
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... SM,CA
(SM,CA)O1
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... SM,CA
(SM,CA)O1
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... SM,CA
(SM,CA)O1
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... SM,CA
(SM,CA)O1
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... SM,CA
(SM,CA)O1
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... SM,CA
(SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... SM,CA
O1 (SM,CA)O1
Alert level G
FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the
_chemical_formula_sum and the formula from the _atom_site* data.
Atom count from _chemical_formula_sum:Ca1 Li6 O12 Sm2 Ta2
Atom count from the _atom_site data: Ca1.0049 Li6.06 O12 Sm2.004800
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G ALERT: check formula stoichiometry or atom site occupancies.
From the CIF: _cell_formula_units_Z 8
From the CIF: _chemical_formula_sum Ca Li6 O12 Sm2 Ta2
TEST: Compare cell contents of formula and atom_site data
atom Z*formula cif sites diff
Ca 8.00 8.00 0.00
Li 48.00 48.48 -0.48
O 96.00 96.00 0.00
Sm 16.00 16.00 0.00
Ta 16.00 16.00 0.00
PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 27.00 Perc.
PLAT092_ALERT_4_G Check: Wavelength given is not Cu,Mo or Ag Ka .. 1.55 Ang.
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 30.00 Perc.
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... !
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
43 ALERT level C = Check and explain
7 ALERT level G = General alerts; check
43 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
2 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
3 ALERT type 4 Improvement, methodology, query or suggestion
1 ALERT type 5 Informative message, check
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